5-cyclopropyl-4-methyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-4-methyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Formula: C17H24N5O2S2+ MolecularWeight: 394.53476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4CC4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C17H23N5O2S2/c1-19-16(14-7-8-14)18-22(17(19)25)13-20-9-11-21(12-10-20)26(23,24)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3/p+1